5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one

C11H19N3O2 — CID 115078289

IUPAC5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
SMILESCC(C)N1CCCCC1Cc1nc(=O)[nH]o1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-6-4-3-5-9(14)7-10-12-11(15)13-16-10/h8-9H,3-7H2,1-2H3,(H,13,15)
InChIKeyUWRILSOCOOZSCZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.17
Rot. Bonds3

About 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one

5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one (PubChem CID 115078289) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one.

Molecular Properties

Compound Name5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
PubChem CID115078289
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
SMILESCC(C)N1CCCCC1Cc1nc(=O)[nH]o1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-6-4-3-5-9(14)7-10-12-11(15)13-16-10/h8-9H,3-7H2,1-2H3,(H,13,15)
InChIKeyUWRILSOCOOZSCZ-UHFFFAOYSA-N
XLogP1.17
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
2-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154224
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
8-methyl-2-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157979
5-(aminomethyl)-4-[(1-propan-2-ylpiperidin-2-yl)methyl]morpholin-3-one
CID 115102735
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
5-piperidin-2-yl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115080806

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one?
The IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one (CID 115078289) is 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one.
What is the SMILES notation for 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one?
The canonical SMILES for 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one is CC(C)N1CCCCC1Cc1nc(=O)[nH]o1.
What is the InChIKey of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one?
The InChIKey is UWRILSOCOOZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14-6-4-3-5-9(14)7-10-12-11(15)13-16-10/h8-9H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one?
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one has a molecular weight of 225.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one is sourced from PubChem (CID 115078289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).